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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > oligopeptide > nodulopeptin 917
organooxygen compound > carboxamide > peptide > oligopeptide > nodulopeptin 917
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > nodulopeptin 917
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > nodulopeptin 917
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > nodulopeptin 917

Preferred term

nodulopeptin 917  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C47H63N7O10S

inchi

  • InChI=1S/C47H63N7O10S/c1-30(2)40-44(59)50-37(24-20-31-13-7-5-8-14-31)45(60)54(3)39(25-21-32-18-22-34(55)23-19-32)43(58)49-36(26-28-65(4)64)41(56)48-27-12-11-17-35(42(57)53-40)51-47(63)52-38(46(61)62)29-33-15-9-6-10-16-33/h5-10,13-16,18-19,22-23,30,35-40,55H,11-12,17,20-21,24-29H2,1-4H3,(H,48,56)(H,49,58)(H,50,59)(H,53,57)(H,61,62)(H2,51,52,63)/t35-,36+,37+,38+,39+,40+,65?/m1/s1

inchikey

  • ULVLGVQLKGBBDN-HMKXOZJYSA-N

mass

  • 918.120

monoisotopicmass

  • 917.43571

smiles

  • S(=O)(CC[C@@H]1NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC([C@@H](CCCCNC1=O)NC(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)=O)CCC3=CC=CC=C3)C)CCC4=CC=C(O)C=C4)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(3S,6S,9S,12S,15R)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3-(2-methylsulinylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225250

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